SCHEMBL6484671

SCHEMBL6484671

CC(N)C#Cc1cc2ncnc(Nc3ccc(Cc4ccccc4)cc3)c2s1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 6/20 0.49
EGFR P00533 11/20 0.49
ERBB2 P04626 8/20 0.49
ERBB4 Q15303 2/20 0.41
CHEK2 O96017 1/20 0.41
ROS1 P08922 1/20 0.41
FLT3 P36888 1/20 0.41
AURKB Q96GD4 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
PIP4K2A P48426 1/20 0.39
PIP4K2C Q8TBX8 1/20 0.39
KDR P35968 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6484674 1.00 FLT1 (0.49) FLT1EGFRERBB2ERBB4CHEK2
SCHEMBL6497364 0.86 ERBB2 (0.53) FLT1EGFRERBB2KDR
SCHEMBL6497370 0.86 ERBB2 (0.53) FLT1EGFRERBB2KDR
SCHEMBL6494531 0.83 FLT1 (0.52) FLT1EGFRERBB2ERBB4CHEK2
SCHEMBL6483644 0.81 ERBB2 (0.61) EGFRERBB2ERBB4
SCHEMBL6483642 0.81 ERBB2 (0.61) EGFRERBB2ERBB4
SCHEMBL6495819 0.81 ERBB2 (0.58) EGFRERBB2ERBB4
SCHEMBL6483050 0.81 ERBB2 (0.58) EGFRERBB2ERBB4
SCHEMBL6686872 0.81 ERBB2 (0.58) EGFRERBB2ERBB4
SCHEMBL6487743 0.78 EGFR (0.66) EGFRERBB2ERBB4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050009845-A1 Thienopyrimidine compounds as protein tyrosine kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2005-01-13 US claimed
EP-1463507-A1 THIENOPYRIMIDINE COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS SmithKline Beecham Corporation (US) 2004-10-06 EP claimed
WO-2003053446-A1 THIENOPYRIMIDINE COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-07-03 WO claimed
US-20050009845-A1 Thienopyrimidine compounds as protein tyrosine kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2005-01-13 US disclosed
EP-1463507-A1 THIENOPYRIMIDINE COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS SmithKline Beecham Corporation (US) 2004-10-06 EP disclosed
WO-2003053446-A1 THIENOPYRIMIDINE COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-07-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050009845-A1 Thienopyrimidine compounds as protein tyrosine kinase inhibitors ERBB2, ERBB4, ERBB3 FLT1 561/4885EGFR 20/4885ERBB2 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.